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Marcelo Castier
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Influence of particle shape on the packing and on the segregation of spherocylinders via Monte Carlo simulations
CRA Abreu, FW Tavares, M Castier
Powder Technology 134 (1-2), 167-180, 2003
2322003
Thermodynamic modeling of confined fluids using an extension of the generalized van der Waals theory
L Travalloni, M Castier, FW Tavares, SI Sandler
Chemical Engineering Science 65 (10), 3088-3099, 2010
1902010
Phase equilibrium of fluids confined in porous media from an extended Peng–Robinson equation of state
L Travalloni, M Castier, FW Tavares
Fluid Phase Equilibria 362, 335-341, 2014
1682014
ZIF-67 framework: a promising new candidate for propylene/propane separation. experimental data and molecular simulations
P Krokidas, M Castier, S Moncho, DN Sredojevic, EN Brothers, HT Kwon, ...
The Journal of Physical Chemistry C 120 (15), 8116-8124, 2016
1432016
Critical behavior of pure confined fluids from an extension of the van der Waals equation of state
L Travalloni, M Castier, FW Tavares, SI Sandler
The Journal of Supercritical Fluids 55 (2), 455-461, 2010
1422010
Molecular simulation studies of the diffusion of methane, ethane, propane, and propylene in ZIF-8
P Krokidas, M Castier, S Moncho, E Brothers, IG Economou
The Journal of Physical Chemistry C 119 (48), 27028-27037, 2015
1252015
Molecular Dynamics Simulation of n-Alkanes and CO2 Confined by Calcite Nanopores
MS Santos, LFM Franco, M Castier, IG Economou
Energy & Fuels 32 (2), 1934-1941, 2018
1122018
Calculation of simultaneous chemical and phase equilibria in nonideal systems
M Castier, P Rasmussen, A Fredenslund
Chemical Engineering Science 44 (2), 237-248, 1989
1111989
Computational study of ZIF-8 and ZIF-67 performance for separation of gas mixtures
P Krokidas, M Castier, IG Economou
The Journal of Physical Chemistry C 121 (33), 17999-18011, 2017
882017
Reliable computation of high-pressure solid− fluid equilibrium
G Xu, AM Scurto, M Castier, JF Brennecke, MA Stadtherr
Industrial & engineering chemistry research 39 (6), 1624-1636, 2000
682000
Solution of the isochoric–isoenergetic flash problem by direct entropy maximization
M Castier
Fluid Phase Equilibria 276 (1), 7-17, 2009
642009
Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study
P Krokidas, S Moncho, EN Brothers, M Castier, IG Economou
Physical Chemistry Chemical Physics 20 (7), 4879-4892, 2018
632018
Critical points with the Wong-Sandler mixing rule—II. Calculations with a modified Peng-Robinson equation of state
M Castier, SI Sandler
Chemical Engineering Science 52 (20), 3579-3588, 1997
631997
Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study
LFM Franco, M Castier, IG Economou
The Journal of Chemical Physics 145 (8), 2016
622016
Modeling and simulation of supersonic gas separations
M Castier
Journal of Natural Gas Science and Engineering 18, 304-311, 2014
602014
A thermodynamic model for strong aqueous electrolytes based on the eSAFT-VR Mie equation of state
MA Selam, IG Economou, M Castier
Fluid Phase Equilibria 464, 47-63, 2018
572018
Automatic implementation of thermodynamic models using computer algebra
M Castier
Computers & Chemical Engineering 23 (9), 1229-1245, 1999
561999
Critical points of hydrocarbon mixtures with the Peng–Robinson, SAFT, and PC-SAFT equations of state
MF Alfradique, M Castier
Fluid phase equilibria 257 (1), 78-101, 2007
482007
Thermodynamic speed of sound in multiphase systems
M Castier
Fluid phase equilibria 306 (2), 204-211, 2011
472011
Calculations of thermodynamic equilibrium in systems subject to gravitational fields
RO Espósito, M Castier, FW Tavares
Chemical engineering science 55 (17), 3495-3504, 2000
442000
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